SCHEMBL6090654

SCHEMBL6090654

COC(=O)c1ccc(OC)cc1OCc1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.63
ALOX5AP P20292 12/20 0.61
ALOX5 P09917 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6089267 0.93 CYSLTR1 (0.62) CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL6087522 0.91 CYSLTR1 (0.60) CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL6088531 0.91 CYSLTR1 (0.67) CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL6088393 0.86 CYSLTR1 (0.60) CYSLTR1ALOX5GPBAR1
SCHEMBL6088333 0.86 CYSLTR1 (0.62) CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL6090885 0.85 CYSLTR1 (0.64) CYSLTR1ALOX5GPBAR1
SCHEMBL6091584 0.85 CYSLTR1 (0.61) CYSLTR1ALOX5APGPBAR1
SCHEMBL7910785 0.84 MAOB (0.59)
SCHEMBL7005360 0.84 CYSLTR1 (0.71) CYSLTR1ALOX5GPBAR1
SCHEMBL10547803 0.83 CYSLTR1 (0.69) CYSLTR1ALOX5GPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed